UCSF

ZINC01700198

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 No

Popular Name: 1,3-Dimethyl-2-nitrobenzene 1,3-Dimethyl-2-nitrobenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 81-20-9 , [81-20-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 6.77 -7.13 0 3 0 46 151.165 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 14-16? Alfa-Aesar
Melting_Point 14-16° Alfa-Aesar
BP 222 TCI
Boiling_Point 225-227? Alfa-Aesar
Boiling_Point 225-227° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% APIChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )